3-[3-[[(phenylmethyl)-(3-phenylpropanoyl)amino]methyl]phenyl]benzoic acid

Systemtic Name: 3-[3-[[(phenylmethyl)-(3-phenylpropanoyl)amino]methyl]phenyl]benzoic acid Openeye Name: 3-[3-[[benzyl(3-phenylpropanoyl)amino]methyl]phenyl]benzoic acid CAS Name: 3-[3-[[(1-oxo-3-phenylpropyl)-(phenylmethyl)amino]methyl]phenyl]benzoic acid IUPAC Name: 3-[3-[[benzyl(3-phenylpropanoyl)amino]methyl]phenyl]benzoic acid Traditional Name: 3-[3-[[benzyl(hydrocinnamoyl)amino]methyl]phenyl]benzoic acid Formula: C30H27NO3 MolecularWeight: 449.54028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC(=C3)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC(=C3)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C30H27NO3/c32-29(18-17-23-9-3-1-4-10-23)31(21-24-11-5-2-6-12-24)22-25-13-7-14-26(19-25)27-15-8-16-28(20-27)30(33)34/h1-16,19-20H,17-18,21-22H2,(H,33,34)